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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 397 records · Page 22

Is there a seismic signature of the sun's magnetic field?

Both weak magnetic fields and latitudinally dependent acoustic perturbations remove the degeneracy of the azimuthal quantum number, m, of acoustic modes of otherwise spherically symmetrical solar model. In the case of acoustic perturbations, the degeneracy is removed because the range of latitude in which a mode propagates depends on m, and therefore modes of like principle order n and degree l sample the aspherical scalar sound speed distribution differently. In the magnetic case, the removal of the degeneracy is caused by the same geometrical effect, and is influenced by the anisotropy of the Lorentz forces. Asymptotic analysis is used to show that the frequency splittings cannot be unambiguously attributed to the direct effect of a magnetic field, and that the effect of such a field on frequency splittings can be reproduced by a perturbation to the sound speed.

Zweibel, Ellen G.↗

Si Tight-Binding Parameters from Genetic Algorithm Fitting

Quantum mechanical simulations of carrier transport in Si require an accurate model of the complicated Si bandstructure. Tight-binding models are an attractive method of choice since they bear the full electronic structure symmetry in them and they can discretize a realistic device on an atomic scale.

genetic algorithm Tight-Binding Parameters↗

Discrete Rotational Energy for Polyatomic Molecules in Direct Simulation Monte Carlo

Accurate prediction of aerothermodynamic loads in thermal non-equilibrium flows requires precise modeling of internal energy exchange. While previous direct simulation Monte Carlo frameworks have successfully implemented discrete rotational energy models for diatomic species, the treatment of polyatomic molecules has traditionally relied on continuous energy assumptions that break down at low temperatures and neglect critical high-temperature corrections. This study extends the discrete rotational energy models of Boyd and Gimelshein to fully encompass polyatomic molecules. The proposed framework implements quantized rotational energy level sampling for linear, spherical, and symmetric/asymmetric top rotors. Crucially, the model incorporates centrifugal distortion to address the limitations of the rigid-rotor assumption at hypersonic temperatures, and accounts for nuclear spin parity, which dictates the permissible rotational states and macroscopic specific heats at low temperatures. The model is verified through equilibrium sampling procedures, demonstrating agreement with theoretical quantum Boltzmann distributions and accurately reproducing thermophysical properties across a wide range of temperatures.

DSMC↗

Charge-to-mass dispersion methods for abrasion-ablation fragmentation models

Methods to describe the charge-to-mass dispersion distributions of projectile prefragments are presented and used to determine individual isotope cross-sections or various elements produced in the fragmentation of relativistic argon nuclei by carbon targets. Although slight improvements in predicted cross-sections are obtained for the quantum mechanical giant dipole resonance (GDR) distribution when compared qith the predictions of the geometric GDR model, the closest agreement between theory and experiment continues to be obtained with the simple hypergeometric distribution, which treats the nucleons in the nucleus as completely uncorrelated.

Townsend, L. W.↗

Cosmological quantum chromodynamics, neutron diffusion, and the production of primordial heavy elements

A simple one-dimensional model is used to describe the evolution of neutron density before and during nucleosynthesis in a high-entropy bubble left over from the cosmic quark-hadron phase transition. It is shown why cosmic nucleosynthesis in such a neutron-rich environment produces a surfeit of elements heavier than lithium. Analytical and numerical techniques are used to estimate the abundances of carbon, nitrogen, and heavier elements up to Ne-22. A high-density neutron-rich region produces enough primordial N-14 to be observed in stellar atmospheres. It shown that very heavy elements may be created in a cosmological r-process; the neutron exposure in the neutron-rich regions is large enough for the Ne-22 to trigger a catastrophic r-process runaway in which the quantity of heavy elements doubles in much less than an expansion time due to fission cycling. A primordial abundance of r-process elements is predicted to appear as an excess of rare earth elements in extremely metal-poor stars.

Applegate, J. H.↗

Boundary and Initial Condition Issues for Computational Fluid Dynamics (CFD) and Modeling and Simulation (Mod-Sim)

For many important classes of Mod-Sim problems, even quantum computing will not enable accurate predictions/computation vis-à-vis the real world due to boundary/initial condition shortfalls in terms of both range of parameters and requisite amplitudes/coverage. The Mod-Sim community needs to consider going forward the knowability of initial and boundary conditions.

Dennis M. Bushnell↗

The Ultra-Soft X-ray Background: A Probe of the Hot Interstellar Medium and the Local Bubble - ADP-99

The Ultra-Soft X-ray Telescope (UXT) was a sounding rocket mission flown three times in 1984 - 1986. At the beginning of the project, the data existed solely in form of raw telemetry data stored on 9 track tapes. The primary goal of this proposal has been to extract event files from the raw telemetry stream and to create instrument response models and calibrated spectra from it. We have completed this project, and the data will soon be available to all via the HEASARC archive of high-energy data at Goddard Space Flight Center. We are in the process of combining the results with the ALEXIS and DXS observations of the Local Bubble in modelling the 72 eV iron line (recently observed by the X-ray Quantum Calorimeter) and the carbon emission lines that are uniquely visible in this dataset. Our results agree with the XQC observation which predicts a maximum emission in the 72 eV iron lines that is below the limit observable with UXT. However, this leaves an open question as to what lines were responsible for the observed Be-band emission. The answer to this question will likely require more observations of soft X-rays with the Chandra LETGS and new atomic data models of potentially emitting ions.

Smith, Randall↗

The origins of cosmic rays and quantum effects on gravity

The energy spectrum of primary cosmic rays is explained by particles emitted during a thermal expansion of explosive objects inside and near the galaxy, remnants of which may be supernova and/or active talaxies, or even stars or galaxies that disappeared from our sight after the explosion. A power law energy spectrum for cosmic rays, E to the (-alpha -1, is obtained from an expansion rate T is proportional to R to the alpha. Using the solution of the Einstein equation, we obtain a spectrum which agrees very well with experimental data. The implication of an inflationary early universe on the cosmic ray spectrum is also discussed. It is also suggested that the conflict between this model and the singularity theorem in classical general relativity may be eliminated by quantum effects.

Tomozawa, Y.↗

Vibration-translation energy transfer in vibrationally excited diatomic molecules

A semiclassical collision model is applied to the study of energy transfer rates between a vibrationally excited diatomic molecule and a structureless atom. The molecule is modeled as an anharmonic oscillator with a multitude of dynamically coupled vibrational states. Three main aspects in the prediction of vibrational energy transfer rates are considered. The applicability of the semiclassical model to an anharmonic oscillator is first evaluated for collinear encounters. Second, the collinear semiclassical model is applied to obtain numerical predictions of the vibrational energy transfer rate dependence on the initial vibrational state quantum number. Thermally averaged vibration-translation rate coefficients are predicted and compared with CO-He experimental values for both ground and excited initial states. The numerical model is also used as a basis for evaluating several less complete but analytic models. Third, the role of rational motion in the dynamics of vibrational energy transfer is examined. A three-dimensional semiclassical collision model is constructed with coupled rotational motion included. Energy transfer within the molecule is shown to be dominated by vibration-rotation transitions with small changes in angular momentum. The rates of vibrational energy transfer in molecules with rational frequencies that are very small in comparison to their vibrational frequency are shown to be adequately treated by the preceding collinear models.

Mckenzie, R. L.↗

Laboratory Characterization and Modeling of a Near-Infrared Enhanced Photomultiplier Tube

The photon-starved channel for optical communications from deep space requires the development of detector technology that can achieve photon-counting sensitivities with high bandwidth. In this article, a near-infrared enhanced photomultiplier tube (PMT) with a quantum e.ciency of 0.08 at a 1.06- m wavelength is characterized in the laboratory. A Polya distribution model is used to compute the probability distribution function of the emitted secondary photoelectrons from the PMT. The model is compared with measured pulse-height distributions with reasonable agreement. The model accounts for realistic device parameters, such as the individual dynode stage gains and a shape parameter that is representative of the spatial uniformity of response across the photocathode and dynodes. Bit-error rate (BER) measurements also are presented for 4- and 8-pulse-position modulation (PPM) modulation schemes with data rates of 20 to 30 Mb/s. A BER of 10-2 is obtained for a mean of 8 detected photons.

Biswas, A.↗

Wildfire Segmentation From Remotely Sensed Data Using Quantum-Compatible Conditional Vector Quantized-Variational Autoencoders

Wildfires represent a critical environmental hazard with multifaceted implications for ecosystems, communities, and public health [1]. The escalating frequency and intensity of wildfires globally have intensified the urgency for robust segmentation methodologies to facilitate effective mitigation, response, and recovery strategies [2]. Accurate wildfire segmentation is pivotal for delineating fire boundaries, assessing progression patterns, and prioritizing resource allocation during emergency scenarios. Furthermore, precise segmentation enables stakeholders, including policymakers, environmental scientists, and emergency responders, to formulate evidence-based strategies, thereby minimizing socio-economic disruptions and ecological degradation. Consequently, advancing wildfire segmentation techniques through innovative technological interventions remains a paramount research imperative. Although foundational in wildfire segmentation, traditional deterministic models exhibit inherent limitations that compromise their efficacy in dynamic and uncertain environments. These models often operate on rigid algorithms prioritizing deterministic classifications, thereby overlooking the inherent complexities and uncertainties associated with wildfire behavior and satellite data variability. Such deterministic frameworks tend to produce oversimplified representations that fail to capture the intricate nuances of evolving fire dynamics, spatial heterogeneity, and environmental interactions [1]. Consequently, the deterministic approach’s propensity for uncertainty collapsing [1, 3] hampers the accuracy, reliability, and applicability of segmentation outcomes in real-world scenarios. Contrastingly, stochastic models offer a more nuanced and adaptable framework for wildfire segmentation. By integrating probabilistic elements into the modeling paradigm, stochastic approaches, particularly probabilistic approaches such as variational auto encoders (VAEs) [4], facilitate comprehensive uncertainty assessment, enabling researchers to quantify and incorporate uncertainties into segmentation outcomes effectively. This probabilistic nature empowers stochastic models to encapsulate variability, account for data inconsistencies, and adapt to evolving environmental conditions, enhancing segmentation accuracy, reliability, and robustness. Embracing stochastic methodologies thus catalyzes advancements in wildfire science by fostering a more holistic, adaptive, and resilient segmentation framework. Despite VAEs demonstrating significant promise in various applications, they come with inherent limitations that have garnered attention within the machine learning community. One of the primary drawbacks lies in their reliance on static priors, which essentially assume a fixed distribution for latent variables, thereby limiting the model’s flexibility to capture complex data structures effectively [5]. This static nature leads to suboptimal representations, especially when dealing with complex and high-dimensional data. Additionally, VAEs often struggle with generating sharp and realistic samples, a phenomenon commonly referred to as mode collapse [5, 7, 6]. Furthermore, the optimization process in VAEs, which involves balancing the reconstruction loss and the regularization term, can sometimes be challenging to fine-tune [7]. In recent efforts to address these shortcomings, alternative approaches like Vector Quantized Variational Auto encoders(VQ-VAEs) [7], address the challenges by incorporating discrete latent variables and leveraging techniques that enhance the quality and diversity of generated samples while maintaining efficient training dynamics. VQ-VAEs propose a dynamic prior distribution generation mechanism that diverges from the static priors commonly associated with traditional VAEs. This dynamic approach allows for more adaptive and context-aware latent variable representations, thereby potentially capturing complex data structures more effectively. Unlike autoregressive prior models such as PixelCNN, which, despite their ability to model dependencies across data dimensions, suffer from significant computational inefficiencies and lack flexibility in handling diverse datasets. In our work, we propose to use a generative quantum-compatible approach to help alleviate the shortcomings of autoregressive prior model in VQ-VAEs. Restricted Boltzmann Machines (RBMs) are a viable alternative prior model that can learn prior distributions in a faster and more flexible manner. In this research endeavor, we meticulously curate a state-of-the-art dataset leveraging satellite MODIS data in conjunction with VIIRS fire masks, derived from Fire Radiative Power (FRP), thereby encapsulating diverse wildfire scenarios and environmental contexts. We developed a conditional VQ-VAE architecture with the RBM prior model that is trained in a supervised manner for segmenting wildfire masks. This innovative approach synergistically harnesses deep learning capabilities, enabling the generation of segmentation maps characterized by heightened precision, granularity, and contextual relevance. Furthermore, replacing the autoregressive prior learning method proposed by the original VQ-VAE with a prior density approximation via quantum-compatible RBM facilitates expedited inference processes, augments flexibility in prior sampling, optimizes computational efficiency and establishes a groundbreaking benchmark in wildfire segmentation methodologies.

quantum machine learning↗

ECUT: Energy Conversion and Utilization Technologies program. Heterogeneous catalysis modeling program concept

Insufficient theoretical definition of heterogeneous catalysts is the major difficulty confronting industrial suppliers who seek catalyst systems which are more active, selective, and stable than those currently available. In contrast, progress was made in tailoring homogeneous catalysts to specific reactions because more is known about the reaction intermediates promoted and/or stabilized by these catalysts during the course of reaction. However, modeling heterogeneous catalysts on a microscopic scale requires compiling and verifying complex information on reaction intermediates and pathways. This can be achieved by adapting homogeneous catalyzed reaction intermediate species, applying theoretical quantum chemistry and computer technology, and developing a better understanding of heterogeneous catalyst system environments. Research in microscopic reaction modeling is now at a stage where computer modeling, supported by physical experimental verification, could provide information about the dynamics of the reactions that will lead to designing supported catalysts with improved selectivity and stability.

Voecks, G. E.↗

Electron Spin Dephasing and Decoherence by Interaction with Nuclear Spins in Self-Assembled Quantum Dots

Electron spin dephasing and decoherence by its interaction with nuclear spins in self-assembled quantum dots are investigated in the framework of the empirical tight-binding model. Electron spin dephasing in an ensemble of dots is induced by the inhomogeneous precession frequencies of the electron among dots, while electron spin decoherence in a single dot arises from the inhomogeneous precession frequencies of nuclear spins in the dot. For In(x)Ga(1-x) As self-assembled dots containing ~30000 nuclei, the dephasing and decoherence times are predicted to be on the order of 100 ps and 1 (micro)s.

ensemble dephasing↗

Quantum chemical calculations for polymers and organic compounds

The relativistic effects of the orbiting electrons on a model compound were calculated. The computational method used was based on 'Modified Neglect of Differential Overlap' (MNDO). The compound tetracyanoplatinate was used since empirical measurement and calculations along "classical" lines had yielded many known properties. The purpose was to show that for large molecules relativity effects could not be ignored and that these effects could be calculated and yield data in closer agreement to empirical measurements. Both the energy band structure and molecular orbitals are depicted.

Lopez, J.↗

Rate effects on instabilities in slightly ionized plasmas

Results are presented of numerical computer calculations of dispersive wave growth rates in slightly ionized plasmas. The effects of employing a plasma model with detailed consideration of rate and radiative processes involving the electron quantum states were studied. Acoustic and electrothermal waves in unseeded argon are found to be frozen with the latter damped. Rate thermal modes can exhibit large growth. Mode mixing and switching in both seeded and unseeded argon are demonstrated.

Harstad, K. G.↗

Carbon-fiber technology

The state of the art of PAN based carbon fiber manufacture and the science of fiber behavior is surveyed. A review is given of the stabilization by oxidation and the subsequent carbonization of fibers, of the apparent structure of fibers deduced from scanning electron microscopy, from X-ray scattering, and from similarities with soft carbons, and of the known relations between fiber properties and heat treatment temperature. A simplified model is invoked to explain the electrical properties of fibers and recent quantum chemical calculations on atomic clusters are used to elucidate some aspects of fiber conductivity. Some effects of intercalation and oxidative modification of finished fibers are summarized.

Hansen, C. F.↗

Physics through the 1990s: Gravitation, cosmology and cosmic-ray physics

The volume contains recommendations for space-and ground-based programs in gravitational physics, cosmology, and cosmic-ray physics. The section on gravitation examines current and planned experimental tests of general relativity; the theory behind, and search for, gravitational waves, including sensitive laser-interferometric tests and other observations; and advances in gravitation theory (for example, incorporating quantum effects). The section on cosmology deals with the big-bang model, the standard model from elementary-particle theory, the inflationary model of the Universe. Computational needs are presented for both gravitation and cosmology. Finally, cosmic-ray physics theory (nucleosynthesis, acceleration models, high-energy physics) and experiment (ground and spaceborne detectors) are discussed.

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